Information card for entry 1572294

Structure parameters

• Formula: C21 H24 N O6 P3
• Calculated formula: C21 H24 N O6 P3
• Title of publication: Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers
• Authors of publication: Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg
• Journal of publication: Crystals
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 662
• a: 9.3792 ± 0.0003 Å
• b: 9.3792 ± 0.0003 Å
• c: 15.6549 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1192.65 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 158
• Hermann-Mauguin space group symbol: P 3 c 1
• Hall space group symbol: P 3 -2"c
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No